5-methoxy-2-nitro-N-pyridin-3-ylbenzamide

C13H11N3O4 — CID 47401859

IUPAC5-methoxy-2-nitro-N-pyridin-3-ylbenzamide
SMILESCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C13H11N3O4/c1-20-10-4-5-12(16(18)19)11(7-10)13(17)15-9-3-2-6-14-8-9/h2-8H,1H3,(H,15,17)
InChIKeyNQOVMTZUUDYQED-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.25
Rot. Bonds4

About 5-methoxy-2-nitro-N-pyridin-3-ylbenzamide

5-methoxy-2-nitro-N-pyridin-3-ylbenzamide (PubChem CID 47401859) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 5-methoxy-2-nitro-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-methoxy-2-nitro-N-pyridin-3-ylbenzamide
PubChem CID47401859
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name5-methoxy-2-nitro-N-pyridin-3-ylbenzamide
SMILESCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C13H11N3O4/c1-20-10-4-5-12(16(18)19)11(7-10)13(17)15-9-3-2-6-14-8-9/h2-8H,1H3,(H,15,17)
InChIKeyNQOVMTZUUDYQED-UHFFFAOYSA-N
XLogP2.25
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
CID 131864696
N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide
CID 47844867
dimethyl 5-[(5-methoxy-2-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
CID 47845357
5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide
CID 47847255
2-chloro-3,5-dinitro-N-pyridin-3-ylbenzamide
CID 4633114
3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide
CID 62681560
(2S)-2-[(5-methoxy-2-nitrobenzoyl)amino]propanoic acid
CID 119238250
2-nitro-N-(pyridin-3-ylcarbamothioyl)benzamide
CID 883119
5-hydroxy-2-nitro-N-pyrimidin-5-ylbenzamide
CID 107588882
5-methoxy-2-nitro-N-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 47858544
5-methoxy-2-nitro-N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)benzamide
CID 59848994
4-[(4-methyl-5-nitro-2-pyridinyl)oxy]-N-pyridin-3-ylbenzamide
CID 133328894

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-nitro-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-methoxy-2-nitro-N-pyridin-3-ylbenzamide (CID 47401859) is 5-methoxy-2-nitro-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-methoxy-2-nitro-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-methoxy-2-nitro-N-pyridin-3-ylbenzamide is COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccnc2)c1.
What is the InChIKey of 5-methoxy-2-nitro-N-pyridin-3-ylbenzamide?
The InChIKey is NQOVMTZUUDYQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-20-10-4-5-12(16(18)19)11(7-10)13(17)15-9-3-2-6-14-8-9/h2-8H,1H3,(H,15,17).
What are the key properties of 5-methoxy-2-nitro-N-pyridin-3-ylbenzamide?
5-methoxy-2-nitro-N-pyridin-3-ylbenzamide has a molecular weight of 273.25 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-nitro-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 47401859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).